SCHEMBL6047987

SCHEMBL6047987

CC(C)(C)c1ccc(CN2CN(Cc3ccc(C(C)(C)C)cc3)CN(Cc3ccc(C(C)(C)C)cc3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.50
POLB P06746 1/20 0.49
SIGMAR1 Q99720 7/20 0.47
LMNA P02545 1/20 0.47
NR1I2 O75469 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CNR1 P21554 1/20 0.47
HRH1 P35367 1/20 0.47
OPRK1 P41145 1/20 0.47
PDE4D Q08499 1/20 0.47
GHSR Q92847 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TEAD1 P28347 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1044315 0.87 KCNH2 (0.58) KCNH2POLBSIGMAR1LMNANR1I2
SCHEMBL797985 0.83 ALDH1A1 (0.59) KCNH2SIGMAR1LMNANR1I2ADORA3
SCHEMBL10212101 0.83 HRH3 (0.65) KCNH2SIGMAR1MEN1KMT2AKDM4E
SCHEMBL12891080 0.83 KCNH2 (0.48) KCNH2POLBSIGMAR1LMNANR1I2
SCHEMBL12666600 0.82 HRH3 (0.69) KCNH2POLBSIGMAR1MEN1KMT2A
SCHEMBL270997 0.82 HRH3 (0.69) KCNH2POLBSIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL7407307 0.80 HRH3 (0.67) KCNH2POLBSIGMAR1MEN1KMT2A
SCHEMBL978708 0.80 KCNH2 (0.52) KCNH2POLBSIGMAR1LMNANR1I2
SCHEMBL798068 0.80 HRH3 (0.58) KCNH2POLBSIGMAR1LMNATEAD1
SCHEMBL270535 0.80 LMNA (0.62) KCNH2SIGMAR1LMNANR1I2ADORA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7081557-B2 Method for the oligomerization of olefins using a cycloalkylalkyl-substituted triazacyclohexane BASELL POLYOLEFINE GMBH (DE) 2006-07-25 US disclosed
EP-1483051-B1 METHOD FOR THE OLIGOMERIZATION OF OLEFINS USING A CYCLOALKYLALKYL-SUBSTITUTED TRIAZACYCLOHEXANE BASELL POLYOLEFINE GMBH (DE) 2005-12-14 EP disclosed
US-20050256357-A1 Method for the oligomerization of olefins using a cycloalkylalkyl-substituted triazacyclohexane BASELL POLYOLEFINE GMBH (DE) 2005-11-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050256357-A1 Method for the oligomerization of olefins using a cycloalkylalkyl-substituted triazacyclohexane ALOX12, ALOX15B, ALOX15 KCNH2 1640/4885POLB 2187/4885SIGMAR1 1941/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.